3,4,4,6-tetramethyl-3,4-dihydro-2(1H)-pyrimidinethione
TL;DR: 3,4,4,6-tetramethyl-3,4-dihydro-2(1H)-pyrimidinethione (CAS 58544-48-2) is a chemical compound with molecular formula C8H14N2S and molecular weight 170.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,4,6-tetramethyl-1H-pyrimidine-2-thione
Also Known As: 3,4,4,6-tetramethyl-1,2,3,4-tetrahydropyrimidine-2-thione, 3,4,4,6-tetramethyl-3,4-dihydro-2(1H)-pyrimidinethione, 3,4,4,6-tetramethyl-1H-pyrimidine-2-thione, 10F-344S, 3,4,4,6-tetramethyl-3,4-dihydro-1H-pyrimidine-2-thione
| Molecular Formula | C8H14N2S |
|---|---|
| Molecular Weight | 170.09 g/mol |
| LogP | 1.4887 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.08777 |
| Heavy Atoms | 11 |
| Complexity | 218.13194 |
Chemical Identifiers
| CAS Number | 58544-48-2 |
|---|---|
| SMILES | CC1=CC(N(C(=S)N1)C)(C)C |
Product Overview
3,4,4,6-tetramethyl-3,4-dihydro-2(1H)-pyrimidinethione (CAS 58544-48-2), with molecular formula C8H14N2S and molecular weight 170.09 g/mol. IUPAC: 3,4,4,6-tetramethyl-1H-pyrimidine-2-thione.
Chemical Property Profile of 3,4,4,6-tetramethyl-3,4-dihydro-2(1H)-pyrimidinethione
Property Insights of 3,4,4,6-tetramethyl-3,4-dihydro-2(1H)-pyrimidinethione
The XLogP value of 1.4887 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,4,6-tetramethyl-3,4-dihydro-2(1H)-pyrimidinethione. With a topological polar surface area (TPSA) of 15.27 Ų, 3,4,4,6-tetramethyl-3,4-dihydro-2(1H)-pyrimidinethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,4,6-tetramethyl-3,4-dihydro-2(1H)-pyrimidinethione has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4,4,6-tetramethyl-3,4-dihydro-2(1H)-pyrimidinethione?
The CAS number of 3,4,4,6-tetramethyl-3,4-dihydro-2(1H)-pyrimidinethione is 58544-48-2.
What is the molecular formula of 3,4,4,6-tetramethyl-3,4-dihydro-2(1H)-pyrimidinethione?
The molecular formula of 3,4,4,6-tetramethyl-3,4-dihydro-2(1H)-pyrimidinethione is C8H14N2S.
What is the molecular weight of 3,4,4,6-tetramethyl-3,4-dihydro-2(1H)-pyrimidinethione?
The molecular weight of 3,4,4,6-tetramethyl-3,4-dihydro-2(1H)-pyrimidinethione is 170.09 g/mol.
Where can I buy 3,4,4,6-tetramethyl-3,4-dihydro-2(1H)-pyrimidinethione?
You can request a quote for 3,4,4,6-tetramethyl-3,4-dihydro-2(1H)-pyrimidinethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,4,6-tetramethyl-3,4-dihydro-2(1H)-pyrimidinethione?
Yes, KEHONG BIO provides custom synthesis services for 3,4,4,6-tetramethyl-3,4-dihydro-2(1H)-pyrimidinethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.